6-ethyl-2-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-methyl-pyrimidin-4-olate

Systemtic Name: 6-ethyl-2-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-methyl-pyrimidin-4-olate Openeye Name: 6-ethyl-2-[2-(2-ethylanilino)-2-oxo-ethyl]sulfanyl-5-methyl-pyrimidin-4-olate CAS Name: 6-ethyl-2-[[2-(2-ethylanilino)-2-oxoethyl]thio]-5-methyl-4-pyrimidinolate IUPAC Name: 6-ethyl-2-[2-(2-ethylanilino)-2-oxoethyl]sulfanyl-5-methylpyrimidin-4-olate Traditional Name: 6-ethyl-2-[[2-(2-ethylanilino)-2-keto-ethyl]thio]-5-methyl-pyrimidin-4-olate Formula: C17H20N3O2S- MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=NC(=C(C(=N2)[O-])C)CC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=NC(=C(C(=N2)[O-])C)CC

InChI

InChI=1S/C17H21N3O2S/c1-4-12-8-6-7-9-14(12)18-15(21)10-23-17-19-13(5-2)11(3)16(22)20-17/h6-9H,4-5,10H2,1-3H3,(H,18,21)(H,19,20,22)/p-1